SCHEMBL30345112

SCHEMBL30345112

CCOC(=O)c1nc(C)nnc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.54
▸ HTT P42858 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPSR1 Q6W5P4 4/20 0.44
▸ F10 P00742 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ P2RY1 P47900 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29098641 1.00 KDM4E (0.54) KDM4EHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL14640522 0.80 MAPT (0.65) KDM4EHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL28633268 0.80 KDM4E (0.56) KDM4EHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL9795501 0.78 MAPT (0.56) KDM4EHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL24053628 0.78 KDM4E (0.52) KDM4EHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL28636207 0.78 KDM4E (0.58) KDM4EHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL7375948 0.76 KDM4E (0.57) KDM4EHTTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL9795496 0.76 MAPT (0.54) KDM4EHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL24053780 0.76 KDM4E (0.48) KDM4EHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL14640557 0.76 MAPT (0.65) KDM4EHTTSMN1; SMN2ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4149929-A1 TRIAZINE AND PYRIMIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2023-03-22 — — EP disclosed
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